SCHEMBL578752

SCHEMBL578752

Fc1cc(Br)cc(F)c1C1CNCCO1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8306101 0.83 HTR1A (0.42) HTR1ADRD2DRD3
SCHEMBL590892 0.80 HTR1A (0.40) HTR1ADRD2DRD3
SCHEMBL15793169 0.80 HTR1A (0.49) HTR1ADRD2DRD3
SCHEMBL8306011 0.77 HTR1A (0.38) HTR1ADRD2DRD3
SCHEMBL27885240 0.74 DRD2 (0.54) HTR1ADRD2DRD3
SCHEMBL13701281 0.74 KDM1A (0.33)
SCHEMBL6225983 0.74 DRD2 (0.53) HTR1ADRD2DRD3
SCHEMBL8775830 0.73 DRD2 (0.56) HTR1ADRD2DRD3
SCHEMBL9094897 0.72 DRD2 (0.39) DRD2
SCHEMBL503067 0.72 DRD2 (0.54) DRD2DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556071-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2013-02-13 EP disclosed
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
WO-2011123946-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 WO disclosed